Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLLVYTLIAIVALIVMIAKFRIYPFLVLIIVSLGLALAVGMPMDGIVKSYEAGTGKTLGHLAIVIALGSMLGKMMAESGGAERIAIALIKWFGEK-HI--HWAMMFIALIVGLPVFFEVGFVLLIPIAFNIAKRTGKSLLIVGLPMVAGLSVVHGLIPPHP-AALLAVQAYHADIGKTIMYSLLVGVPTAVVAGPLYALWINKYVKLPENNPLAKQFVEADANNTRELPSFGITLFTIMLPVALMLVGSWADVFFAPKTFPNELLRFIGTSDIALLIAVLVSFITFGTMQGFNREQIEKFCGGCLASIAGILLIVGAGGGFGGILRDSGISNEIVSTALKANLSPLLLGWLVAAIIRLATGSATVAMATACSIVAPIAAAAGVVVRPELLVLATGSGSLIFSHVNDAGFWLIKEYFGMTVGQTLKTWSVLETIISVLGLSFTLLLSAVL 5ULD Chain:C ((295-439)) -----------------------------------------------KEIQKTADW---GILLLFGGGLCLSNVLKQTGTSVFLANALSDMVSHMGIFVVILVVATFVVFLTEFTSNVATTTLLIPVFATVAEAFGMSPVLLSVLIAVAASCA-FMLPVATPPNAIVFASGHIKQSEMMRVGLYLNIACIGL-LTAI------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5ULD.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 446 -79873 -179.09 -566.47 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain C : 0.47 3D Compatibility (PKB) : -179.09 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.47 QMean score : 0.335

(partial model without unconserved sides chains): PDB file : Tito_5ULD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5ULD-query.scw PDB file : Tito_Scwrl_5ULD.pdb: